Compound Identification
SMILES
COC1=C(Cl)C2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(=S)NC1=CC=C(C=C1)N(C)C
InChIKey
InChIKey=DAXHEVLPGIJPJG-NRFANRHFSA-N
Formula
C29H32ClN3O5S
Mass
570.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Tropones Dialkylarylamines Anisoles Aniline and substituted anilines Alkyl aryl ethers Aryl chlorides Thioureas Cyclic ketones Organochlorides Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-phenylthiourea - Anisole - Aniline or substituted anilines - Dialkylarylamine - Tropone - Tertiary aliphatic/aromatic amine - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Cyclic ketone - Thiourea - Tertiary amine - Ether - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available